Geometry & MOs

Info

ID:	165967
PubChem CID:	74620273
Reduced:	N2O3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-44.35
Dipole, Da:	4.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764172
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-benzyl-5-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-3-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C1CC1)[NH+](CC2=CC=CC=C2)CC(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations